3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide

C16H24N4O — CID 51103792

IUPAC3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
SMILESCCCC(NC(=O)CC(C)(C)C)c1nnc2ccccn12
InChIInChI=1S/C16H24N4O/c1-5-8-12(17-14(21)11-16(2,3)4)15-19-18-13-9-6-7-10-20(13)15/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,17,21)
InChIKeyAVZFSZRFXHXGKF-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.12
Rot. Bonds5

About 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide

3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide (PubChem CID 51103792) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
PubChem CID51103792
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
SMILESCCCC(NC(=O)CC(C)(C)C)c1nnc2ccccn12
InChIInChI=1S/C16H24N4O/c1-5-8-12(17-14(21)11-16(2,3)4)15-19-18-13-9-6-7-10-20(13)15/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,17,21)
InChIKeyAVZFSZRFXHXGKF-UHFFFAOYSA-N
XLogP3.12
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
CID 95317728
tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate
CID 60614861
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
(3S)-1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylcarbamoyl]piperidine-3-carboxylic acid
CID 154786571
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86876901
(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743
(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]prop-2-enamide
CID 86876214
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
2-(2-ethylphenoxy)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 55458850

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide (CID 51103792) is 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide is CCCC(NC(=O)CC(C)(C)C)c1nnc2ccccn12.
What is the InChIKey of 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide?
The InChIKey is AVZFSZRFXHXGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-8-12(17-14(21)11-16(2,3)4)15-19-18-13-9-6-7-10-20(13)15/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,17,21).
What are the key properties of 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide?
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide is sourced from PubChem (CID 51103792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).